USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 ASN :FLIP amide:sc= -2.55 F(o=-4.8!,f=-2.5) USER MOD Single : A 447 LYS NZ :NH3+ 148:sc= -0.406 (180deg=-1.57!) USER MOD Single : A 454 CYS SG : rot 180:sc= 0 USER MOD Single : A 455 THR OG1 : rot -48:sc= -1.7! USER MOD Single : A 462 GLN : amide:sc= 1.08 K(o=1.1,f=-0.73) USER MOD Single : A 474 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 MET CE :methyl -128:sc=-0.00745 (180deg=-0.226) USER MOD Single : A 487 ASN : amide:sc= -4.71! C(o=-4.7!,f=-4.5!) USER MOD Single : A 489 CYS SG : rot -60:sc= -7.88! USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 9.579 -11.777 4.994 1.00 0.00 N ATOM 35 CA LYS A 429 10.209 -12.928 4.289 1.00 0.00 C ATOM 36 C LYS A 429 9.118 -13.841 3.724 1.00 0.00 C ATOM 37 O LYS A 429 8.110 -14.084 4.357 1.00 0.00 O ATOM 38 CB LYS A 429 11.074 -13.717 5.275 1.00 0.00 C ATOM 39 CG LYS A 429 12.527 -13.715 4.795 1.00 0.00 C ATOM 40 CD LYS A 429 13.154 -15.086 5.058 1.00 0.00 C ATOM 41 CE LYS A 429 13.527 -15.739 3.726 1.00 0.00 C ATOM 42 NZ LYS A 429 14.344 -16.960 3.980 1.00 0.00 N ATOM 0 HA LYS A 429 10.831 -12.558 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.008 -13.274 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 429 10.709 -14.741 5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 429 12.569 -13.482 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 429 13.091 -12.940 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 429 14.040 -14.979 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 429 12.454 -15.720 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 429 12.625 -16.001 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 429 14.087 -15.036 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 14.597 -17.403 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 15.211 -16.698 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 13.795 -17.632 4.553 1.00 0.00 H new ATOM 56 N PRO A 430 9.332 -14.356 2.504 1.00 0.00 N ATOM 57 CA PRO A 430 8.371 -15.248 1.841 1.00 0.00 C ATOM 58 C PRO A 430 8.329 -16.630 2.501 1.00 0.00 C ATOM 59 O PRO A 430 9.342 -17.176 2.887 1.00 0.00 O ATOM 60 CB PRO A 430 8.917 -15.368 0.419 1.00 0.00 C ATOM 61 CG PRO A 430 10.377 -15.088 0.547 1.00 0.00 C ATOM 62 CD PRO A 430 10.525 -14.108 1.677 1.00 0.00 C ATOM 0 HA PRO A 430 7.353 -14.862 1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.739 -16.362 0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.435 -14.656 -0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 430 10.931 -16.004 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.776 -14.675 -0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.444 -14.277 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.557 -13.080 1.316 1.00 0.00 H new ATOM 70 N ALA A 431 7.160 -17.200 2.632 1.00 0.00 N ATOM 71 CA ALA A 431 7.055 -18.543 3.265 1.00 0.00 C ATOM 72 C ALA A 431 7.483 -19.617 2.263 1.00 0.00 C ATOM 73 O ALA A 431 7.495 -19.396 1.068 1.00 0.00 O ATOM 74 CB ALA A 431 5.607 -18.792 3.694 1.00 0.00 C ATOM 0 H ALA A 431 6.276 -16.793 2.328 1.00 0.00 H new ATOM 0 HA ALA A 431 7.706 -18.584 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.529 -19.775 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.303 -18.028 4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 431 4.956 -18.750 2.820 1.00 0.00 H new ATOM 80 N ASP A 432 7.841 -20.775 2.742 1.00 0.00 N ATOM 81 CA ASP A 432 8.276 -21.864 1.825 1.00 0.00 C ATOM 82 C ASP A 432 7.226 -22.077 0.731 1.00 0.00 C ATOM 83 O ASP A 432 7.553 -22.353 -0.406 1.00 0.00 O ATOM 84 CB ASP A 432 8.449 -23.158 2.624 1.00 0.00 C ATOM 85 CG ASP A 432 9.637 -23.013 3.578 1.00 0.00 C ATOM 86 OD1 ASP A 432 10.364 -22.043 3.444 1.00 0.00 O ATOM 87 OD2 ASP A 432 9.798 -23.875 4.426 1.00 0.00 O ATOM 0 H ASP A 432 7.851 -21.015 3.733 1.00 0.00 H new ATOM 0 HA ASP A 432 9.223 -21.587 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 432 7.541 -23.375 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 432 8.612 -23.997 1.947 1.00 0.00 H new ATOM 92 N ASP A 433 5.967 -21.955 1.058 1.00 0.00 N ATOM 93 CA ASP A 433 4.913 -22.157 0.023 1.00 0.00 C ATOM 94 C ASP A 433 5.118 -21.149 -1.105 1.00 0.00 C ATOM 95 O ASP A 433 4.985 -21.465 -2.271 1.00 0.00 O ATOM 96 CB ASP A 433 3.530 -21.953 0.648 1.00 0.00 C ATOM 97 CG ASP A 433 3.309 -22.992 1.750 1.00 0.00 C ATOM 98 OD1 ASP A 433 4.063 -23.950 1.792 1.00 0.00 O ATOM 99 OD2 ASP A 433 2.389 -22.812 2.531 1.00 0.00 O ATOM 0 H ASP A 433 5.625 -21.726 1.991 1.00 0.00 H new ATOM 0 HA ASP A 433 4.981 -23.170 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.451 -20.947 1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 433 2.757 -22.047 -0.115 1.00 0.00 H new ATOM 104 N LEU A 434 5.446 -19.935 -0.762 1.00 0.00 N ATOM 105 CA LEU A 434 5.668 -18.897 -1.805 1.00 0.00 C ATOM 106 C LEU A 434 7.031 -19.116 -2.458 1.00 0.00 C ATOM 107 O LEU A 434 7.189 -19.000 -3.656 1.00 0.00 O ATOM 108 CB LEU A 434 5.643 -17.519 -1.145 1.00 0.00 C ATOM 109 CG LEU A 434 5.260 -16.458 -2.177 1.00 0.00 C ATOM 110 CD1 LEU A 434 6.254 -16.499 -3.338 1.00 0.00 C ATOM 111 CD2 LEU A 434 3.849 -16.736 -2.701 1.00 0.00 C ATOM 0 H LEU A 434 5.570 -19.616 0.199 1.00 0.00 H new ATOM 0 HA LEU A 434 4.887 -18.962 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 434 4.929 -17.513 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.621 -17.291 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 434 5.283 -15.473 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 434 5.983 -15.743 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 434 7.258 -16.298 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 434 6.230 -17.485 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 434 3.578 -15.978 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 434 3.822 -17.721 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 434 3.141 -16.707 -1.873 1.00 0.00 H new ATOM 123 N LEU A 435 8.017 -19.426 -1.667 1.00 0.00 N ATOM 124 CA LEU A 435 9.385 -19.649 -2.217 1.00 0.00 C ATOM 125 C LEU A 435 9.412 -20.923 -3.062 1.00 0.00 C ATOM 126 O LEU A 435 10.112 -21.010 -4.051 1.00 0.00 O ATOM 127 CB LEU A 435 10.373 -19.798 -1.061 1.00 0.00 C ATOM 128 CG LEU A 435 10.785 -18.412 -0.560 1.00 0.00 C ATOM 129 CD1 LEU A 435 11.110 -18.489 0.933 1.00 0.00 C ATOM 130 CD2 LEU A 435 12.019 -17.940 -1.329 1.00 0.00 C ATOM 0 H LEU A 435 7.936 -19.536 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 435 9.661 -18.799 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 435 9.918 -20.369 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 435 11.251 -20.354 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 435 9.968 -17.708 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 435 11.404 -17.503 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 435 10.230 -18.827 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 435 11.928 -19.192 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 435 12.314 -16.953 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 435 12.837 -18.642 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 435 11.787 -17.888 -2.393 1.00 0.00 H new ATOM 142 N ASN A 436 8.667 -21.917 -2.673 1.00 0.00 N ATOM 143 CA ASN A 436 8.665 -23.193 -3.445 1.00 0.00 C ATOM 144 C ASN A 436 7.628 -23.125 -4.567 1.00 0.00 C ATOM 145 O ASN A 436 7.479 -24.054 -5.337 1.00 0.00 O ATOM 146 CB ASN A 436 8.327 -24.352 -2.506 1.00 0.00 C ATOM 147 CG ASN A 436 9.408 -24.458 -1.427 1.00 0.00 C ATOM 148 OD1 ASN A 436 9.090 -24.242 -0.180 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 10.552 -24.741 -1.722 1.00 0.00 N flip ATOM 0 H ASN A 436 8.059 -21.903 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 436 9.651 -23.349 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 436 7.352 -24.191 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 436 8.264 -25.284 -3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 436 10.800 -24.910 -2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 436 11.264 -24.810 -0.995 1.00 0.00 H new ATOM 156 N LEU A 437 6.910 -22.042 -4.674 1.00 0.00 N ATOM 157 CA LEU A 437 5.890 -21.936 -5.754 1.00 0.00 C ATOM 158 C LEU A 437 6.592 -21.915 -7.115 1.00 0.00 C ATOM 159 O LEU A 437 7.502 -21.145 -7.345 1.00 0.00 O ATOM 160 CB LEU A 437 5.074 -20.655 -5.572 1.00 0.00 C ATOM 161 CG LEU A 437 3.878 -20.667 -6.530 1.00 0.00 C ATOM 162 CD1 LEU A 437 3.204 -22.042 -6.497 1.00 0.00 C ATOM 163 CD2 LEU A 437 2.872 -19.598 -6.102 1.00 0.00 C ATOM 0 H LEU A 437 6.985 -21.229 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 437 5.219 -22.794 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 437 4.727 -20.576 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 437 5.699 -19.783 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 437 4.225 -20.459 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.354 -22.047 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.919 -22.805 -6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 437 2.858 -22.254 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 437 2.021 -19.606 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.528 -19.807 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 437 3.349 -18.618 -6.129 1.00 0.00 H new ATOM 175 N GLU A 438 6.180 -22.767 -8.013 1.00 0.00 N ATOM 176 CA GLU A 438 6.823 -22.817 -9.357 1.00 0.00 C ATOM 177 C GLU A 438 6.644 -21.481 -10.078 1.00 0.00 C ATOM 178 O GLU A 438 7.469 -21.082 -10.877 1.00 0.00 O ATOM 179 CB GLU A 438 6.182 -23.931 -10.181 1.00 0.00 C ATOM 180 CG GLU A 438 6.312 -25.249 -9.420 1.00 0.00 C ATOM 181 CD GLU A 438 5.756 -26.391 -10.272 1.00 0.00 C ATOM 182 OE1 GLU A 438 5.066 -26.103 -11.236 1.00 0.00 O ATOM 183 OE2 GLU A 438 6.030 -27.535 -9.947 1.00 0.00 O ATOM 0 H GLU A 438 5.421 -23.434 -7.873 1.00 0.00 H new ATOM 0 HA GLU A 438 7.888 -23.013 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 438 5.132 -23.705 -10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 438 6.669 -24.008 -11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 438 7.358 -25.439 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 438 5.771 -25.190 -8.475 1.00 0.00 H new ATOM 190 N GLY A 439 5.579 -20.782 -9.806 1.00 0.00 N ATOM 191 CA GLY A 439 5.362 -19.472 -10.480 1.00 0.00 C ATOM 192 C GLY A 439 6.135 -18.387 -9.728 1.00 0.00 C ATOM 193 O GLY A 439 6.123 -17.231 -10.100 1.00 0.00 O ATOM 0 H GLY A 439 4.851 -21.060 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 439 5.697 -19.522 -11.516 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.299 -19.231 -10.500 1.00 0.00 H new ATOM 197 N VAL A 440 6.799 -18.752 -8.666 1.00 0.00 N ATOM 198 CA VAL A 440 7.564 -17.737 -7.885 1.00 0.00 C ATOM 199 C VAL A 440 9.023 -18.169 -7.748 1.00 0.00 C ATOM 200 O VAL A 440 9.325 -19.221 -7.221 1.00 0.00 O ATOM 201 CB VAL A 440 6.947 -17.600 -6.492 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.791 -16.640 -5.652 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.522 -17.058 -6.616 1.00 0.00 C ATOM 0 H VAL A 440 6.846 -19.705 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 440 7.522 -16.781 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 440 6.921 -18.576 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 440 7.351 -16.542 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.805 -17.030 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.819 -15.663 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 440 5.082 -16.960 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.545 -16.082 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.922 -17.745 -7.213 1.00 0.00 H new ATOM 213 N ASP A 441 9.930 -17.354 -8.205 1.00 0.00 N ATOM 214 CA ASP A 441 11.370 -17.703 -8.084 1.00 0.00 C ATOM 215 C ASP A 441 11.851 -17.303 -6.692 1.00 0.00 C ATOM 216 O ASP A 441 11.136 -16.670 -5.940 1.00 0.00 O ATOM 217 CB ASP A 441 12.175 -16.945 -9.143 1.00 0.00 C ATOM 218 CG ASP A 441 11.636 -17.278 -10.536 1.00 0.00 C ATOM 219 OD1 ASP A 441 10.981 -18.300 -10.668 1.00 0.00 O ATOM 220 OD2 ASP A 441 11.887 -16.507 -11.447 1.00 0.00 O ATOM 0 H ASP A 441 9.736 -16.461 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 441 11.508 -18.774 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 441 12.110 -15.872 -8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 441 13.229 -17.216 -9.076 1.00 0.00 H new ATOM 225 N ARG A 442 13.052 -17.658 -6.337 1.00 0.00 N ATOM 226 CA ARG A 442 13.559 -17.285 -4.990 1.00 0.00 C ATOM 227 C ARG A 442 13.474 -15.769 -4.834 1.00 0.00 C ATOM 228 O ARG A 442 13.080 -15.256 -3.806 1.00 0.00 O ATOM 229 CB ARG A 442 15.014 -17.737 -4.850 1.00 0.00 C ATOM 230 CG ARG A 442 15.589 -17.219 -3.530 1.00 0.00 C ATOM 231 CD ARG A 442 17.022 -17.729 -3.365 1.00 0.00 C ATOM 232 NE ARG A 442 17.471 -17.512 -1.960 1.00 0.00 N ATOM 233 CZ ARG A 442 17.787 -18.532 -1.209 1.00 0.00 C ATOM 234 NH1 ARG A 442 18.516 -19.499 -1.695 1.00 0.00 N ATOM 235 NH2 ARG A 442 17.375 -18.585 0.027 1.00 0.00 N ATOM 0 H ARG A 442 13.702 -18.188 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 442 12.959 -17.769 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 442 15.072 -18.825 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.604 -17.362 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.575 -16.129 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 442 14.973 -17.555 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 442 17.073 -18.789 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.686 -17.208 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 442 17.531 -16.565 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 442 18.839 -19.458 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 442 18.763 -20.296 -1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 442 16.805 -17.829 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 442 17.622 -19.382 0.613 1.00 0.00 H new ATOM 249 N ASP A 443 13.852 -15.051 -5.852 1.00 0.00 N ATOM 250 CA ASP A 443 13.809 -13.563 -5.780 1.00 0.00 C ATOM 251 C ASP A 443 12.357 -13.074 -5.774 1.00 0.00 C ATOM 252 O ASP A 443 12.003 -12.175 -5.036 1.00 0.00 O ATOM 253 CB ASP A 443 14.533 -12.975 -6.993 1.00 0.00 C ATOM 254 CG ASP A 443 16.020 -13.331 -6.923 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.459 -13.748 -5.865 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.692 -13.179 -7.929 1.00 0.00 O ATOM 0 H ASP A 443 14.191 -15.431 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 443 14.298 -13.239 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 443 14.098 -13.365 -7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.408 -11.892 -7.015 1.00 0.00 H new ATOM 261 N LEU A 444 11.510 -13.645 -6.590 1.00 0.00 N ATOM 262 CA LEU A 444 10.092 -13.188 -6.616 1.00 0.00 C ATOM 263 C LEU A 444 9.478 -13.358 -5.226 1.00 0.00 C ATOM 264 O LEU A 444 8.603 -12.615 -4.826 1.00 0.00 O ATOM 265 CB LEU A 444 9.303 -14.012 -7.635 1.00 0.00 C ATOM 266 CG LEU A 444 8.079 -13.215 -8.088 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.534 -13.814 -9.387 1.00 0.00 C ATOM 268 CD2 LEU A 444 7.005 -13.277 -7.001 1.00 0.00 C ATOM 0 H LEU A 444 11.738 -14.402 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 444 10.054 -12.137 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 444 9.933 -14.252 -8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 444 8.992 -14.958 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 444 8.360 -12.176 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 444 6.661 -13.247 -9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 444 8.303 -13.770 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.249 -14.852 -9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 444 6.131 -12.710 -7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.721 -14.315 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.397 -12.850 -6.078 1.00 0.00 H new ATOM 280 N ALA A 445 9.934 -14.327 -4.482 1.00 0.00 N ATOM 281 CA ALA A 445 9.382 -14.539 -3.116 1.00 0.00 C ATOM 282 C ALA A 445 9.691 -13.314 -2.251 1.00 0.00 C ATOM 283 O ALA A 445 8.960 -12.984 -1.340 1.00 0.00 O ATOM 284 CB ALA A 445 10.023 -15.781 -2.492 1.00 0.00 C ATOM 0 H ALA A 445 10.665 -14.981 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 445 8.303 -14.682 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.618 -15.936 -1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 445 9.806 -16.652 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.102 -15.641 -2.429 1.00 0.00 H new ATOM 290 N PHE A 446 10.768 -12.632 -2.536 1.00 0.00 N ATOM 291 CA PHE A 446 11.116 -11.426 -1.735 1.00 0.00 C ATOM 292 C PHE A 446 10.261 -10.249 -2.204 1.00 0.00 C ATOM 293 O PHE A 446 9.650 -9.561 -1.413 1.00 0.00 O ATOM 294 CB PHE A 446 12.599 -11.097 -1.922 1.00 0.00 C ATOM 295 CG PHE A 446 13.437 -12.160 -1.251 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.678 -12.094 0.127 1.00 0.00 C ATOM 297 CD2 PHE A 446 13.972 -13.211 -2.005 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.454 -13.079 0.750 1.00 0.00 C ATOM 299 CE2 PHE A 446 14.748 -14.196 -1.383 1.00 0.00 C ATOM 300 CZ PHE A 446 14.989 -14.130 -0.005 1.00 0.00 C ATOM 0 H PHE A 446 11.420 -12.858 -3.287 1.00 0.00 H new ATOM 0 HA PHE A 446 10.924 -11.617 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.840 -11.045 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.823 -10.119 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 446 13.265 -11.283 0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 446 13.786 -13.262 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.640 -13.028 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 446 15.161 -15.006 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 446 15.588 -14.890 0.475 1.00 0.00 H new ATOM 310 N LYS A 447 10.204 -10.017 -3.489 1.00 0.00 N ATOM 311 CA LYS A 447 9.377 -8.890 -4.002 1.00 0.00 C ATOM 312 C LYS A 447 7.930 -9.096 -3.551 1.00 0.00 C ATOM 313 O LYS A 447 7.210 -8.154 -3.285 1.00 0.00 O ATOM 314 CB LYS A 447 9.438 -8.860 -5.530 1.00 0.00 C ATOM 315 CG LYS A 447 8.921 -7.510 -6.034 1.00 0.00 C ATOM 316 CD LYS A 447 9.099 -7.431 -7.552 1.00 0.00 C ATOM 317 CE LYS A 447 8.851 -5.996 -8.020 1.00 0.00 C ATOM 318 NZ LYS A 447 9.683 -5.059 -7.214 1.00 0.00 N ATOM 0 H LYS A 447 10.693 -10.558 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 447 9.757 -7.946 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.462 -9.018 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 447 8.837 -9.670 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 447 7.869 -7.391 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 447 9.463 -6.697 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 447 10.105 -7.746 -7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 447 8.405 -8.111 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 447 9.097 -5.900 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 447 7.796 -5.745 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 9.955 -4.244 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 9.137 -4.728 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 10.539 -5.550 -6.885 1.00 0.00 H new ATOM 332 N LEU A 448 7.504 -10.327 -3.453 1.00 0.00 N ATOM 333 CA LEU A 448 6.111 -10.603 -3.008 1.00 0.00 C ATOM 334 C LEU A 448 6.061 -10.542 -1.481 1.00 0.00 C ATOM 335 O LEU A 448 5.152 -9.984 -0.900 1.00 0.00 O ATOM 336 CB LEU A 448 5.690 -11.998 -3.477 1.00 0.00 C ATOM 337 CG LEU A 448 4.226 -12.241 -3.104 1.00 0.00 C ATOM 338 CD1 LEU A 448 3.366 -12.209 -4.368 1.00 0.00 C ATOM 339 CD2 LEU A 448 4.087 -13.608 -2.427 1.00 0.00 C ATOM 0 H LEU A 448 8.063 -11.154 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 448 5.433 -9.863 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.821 -12.086 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.324 -12.755 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 448 3.894 -11.462 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 448 2.323 -12.382 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.462 -11.235 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 448 3.700 -12.987 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 448 3.043 -13.779 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 448 4.420 -14.388 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 448 4.698 -13.631 -1.525 1.00 0.00 H new ATOM 351 N ALA A 449 7.041 -11.106 -0.829 1.00 0.00 N ATOM 352 CA ALA A 449 7.062 -11.076 0.660 1.00 0.00 C ATOM 353 C ALA A 449 7.228 -9.631 1.127 1.00 0.00 C ATOM 354 O ALA A 449 6.694 -9.229 2.142 1.00 0.00 O ATOM 355 CB ALA A 449 8.230 -11.920 1.174 1.00 0.00 C ATOM 0 H ALA A 449 7.828 -11.587 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 449 6.129 -11.483 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.244 -11.897 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.112 -12.949 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.167 -11.516 0.791 1.00 0.00 H new ATOM 361 N ALA A 450 7.957 -8.844 0.386 1.00 0.00 N ATOM 362 CA ALA A 450 8.150 -7.420 0.779 1.00 0.00 C ATOM 363 C ALA A 450 6.832 -6.667 0.587 1.00 0.00 C ATOM 364 O ALA A 450 6.669 -5.551 1.041 1.00 0.00 O ATOM 365 CB ALA A 450 9.232 -6.788 -0.099 1.00 0.00 C ATOM 0 H ALA A 450 8.427 -9.125 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 450 8.458 -7.365 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.372 -5.746 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.169 -7.330 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 450 8.927 -6.837 -1.144 1.00 0.00 H new ATOM 371 N ARG A 451 5.892 -7.272 -0.086 1.00 0.00 N ATOM 372 CA ARG A 451 4.583 -6.597 -0.315 1.00 0.00 C ATOM 373 C ARG A 451 3.580 -7.038 0.752 1.00 0.00 C ATOM 374 O ARG A 451 2.387 -6.853 0.610 1.00 0.00 O ATOM 375 CB ARG A 451 4.053 -6.976 -1.698 1.00 0.00 C ATOM 376 CG ARG A 451 4.925 -6.327 -2.773 1.00 0.00 C ATOM 377 CD ARG A 451 4.457 -4.889 -3.004 1.00 0.00 C ATOM 378 NE ARG A 451 5.610 -3.960 -2.842 1.00 0.00 N ATOM 379 CZ ARG A 451 6.785 -4.291 -3.306 1.00 0.00 C ATOM 380 NH1 ARG A 451 7.725 -4.674 -2.486 1.00 0.00 N ATOM 381 NH2 ARG A 451 7.018 -4.239 -4.588 1.00 0.00 N ATOM 0 H ARG A 451 5.974 -8.206 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 451 4.719 -5.517 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 451 4.057 -8.060 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 451 3.019 -6.647 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 451 5.970 -6.336 -2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 451 4.862 -6.896 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 451 4.033 -4.789 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 451 3.668 -4.634 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 451 5.482 -3.066 -2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 451 7.542 -4.715 -1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 451 8.643 -4.933 -2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 451 6.283 -3.940 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 451 7.936 -4.497 -4.950 1.00 0.00 H new ATOM 395 N GLY A 452 4.049 -7.622 1.819 1.00 0.00 N ATOM 396 CA GLY A 452 3.116 -8.074 2.890 1.00 0.00 C ATOM 397 C GLY A 452 2.762 -9.546 2.669 1.00 0.00 C ATOM 398 O GLY A 452 2.307 -10.228 3.567 1.00 0.00 O ATOM 0 H GLY A 452 5.036 -7.806 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.578 -7.943 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.212 -7.466 2.880 1.00 0.00 H new ATOM 402 N VAL A 453 2.966 -10.043 1.480 1.00 0.00 N ATOM 403 CA VAL A 453 2.640 -11.470 1.202 1.00 0.00 C ATOM 404 C VAL A 453 3.808 -12.351 1.647 1.00 0.00 C ATOM 405 O VAL A 453 4.601 -12.799 0.842 1.00 0.00 O ATOM 406 CB VAL A 453 2.402 -11.661 -0.298 1.00 0.00 C ATOM 407 CG1 VAL A 453 1.354 -12.753 -0.514 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.902 -10.351 -0.910 1.00 0.00 C ATOM 0 H VAL A 453 3.344 -9.522 0.689 1.00 0.00 H new ATOM 0 HA VAL A 453 1.740 -11.750 1.749 1.00 0.00 H new ATOM 0 HB VAL A 453 3.337 -11.952 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 453 1.185 -12.889 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 453 1.709 -13.688 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.420 -12.462 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.733 -10.489 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.968 -10.058 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.648 -9.571 -0.759 1.00 0.00 H new ATOM 418 N CYS A 454 3.922 -12.604 2.922 1.00 0.00 N ATOM 419 CA CYS A 454 5.041 -13.455 3.411 1.00 0.00 C ATOM 420 C CYS A 454 4.634 -14.926 3.338 1.00 0.00 C ATOM 421 O CYS A 454 5.409 -15.808 3.650 1.00 0.00 O ATOM 422 CB CYS A 454 5.365 -13.091 4.862 1.00 0.00 C ATOM 423 SG CYS A 454 5.708 -11.318 4.979 1.00 0.00 S ATOM 0 H CYS A 454 3.290 -12.259 3.644 1.00 0.00 H new ATOM 0 HA CYS A 454 5.920 -13.288 2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.528 -13.354 5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.227 -13.662 5.207 1.00 0.00 H new ATOM 0 HG CYS A 454 5.981 -11.009 6.212 1.00 0.00 H new ATOM 429 N THR A 455 3.425 -15.203 2.932 1.00 0.00 N ATOM 430 CA THR A 455 2.988 -16.622 2.848 1.00 0.00 C ATOM 431 C THR A 455 2.170 -16.835 1.575 1.00 0.00 C ATOM 432 O THR A 455 1.531 -15.931 1.075 1.00 0.00 O ATOM 433 CB THR A 455 2.132 -16.966 4.070 1.00 0.00 C ATOM 434 OG1 THR A 455 1.306 -15.856 4.394 1.00 0.00 O ATOM 435 CG2 THR A 455 3.041 -17.293 5.256 1.00 0.00 C ATOM 0 H THR A 455 2.727 -14.512 2.657 1.00 0.00 H new ATOM 0 HA THR A 455 3.865 -17.269 2.824 1.00 0.00 H new ATOM 0 HB THR A 455 1.507 -17.831 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.848 -15.040 4.413 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.431 -17.538 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.674 -18.144 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.667 -16.430 5.483 1.00 0.00 H new ATOM 443 N LEU A 456 2.183 -18.029 1.050 1.00 0.00 N ATOM 444 CA LEU A 456 1.406 -18.307 -0.187 1.00 0.00 C ATOM 445 C LEU A 456 -0.057 -17.930 0.048 1.00 0.00 C ATOM 446 O LEU A 456 -0.710 -17.373 -0.811 1.00 0.00 O ATOM 447 CB LEU A 456 1.508 -19.794 -0.524 1.00 0.00 C ATOM 448 CG LEU A 456 0.764 -20.072 -1.830 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.742 -19.979 -3.004 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.159 -21.474 -1.779 1.00 0.00 C ATOM 0 H LEU A 456 2.699 -18.824 1.426 1.00 0.00 H new ATOM 0 HA LEU A 456 1.804 -17.722 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.554 -20.085 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 456 1.083 -20.391 0.283 1.00 0.00 H new ATOM 0 HG LEU A 456 -0.030 -19.337 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 456 1.212 -20.177 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 456 2.175 -18.979 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.536 -20.714 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.372 -21.675 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 456 0.954 -22.209 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.537 -21.540 -0.942 1.00 0.00 H new ATOM 462 N GLU A 457 -0.572 -18.223 1.211 1.00 0.00 N ATOM 463 CA GLU A 457 -1.986 -17.871 1.505 1.00 0.00 C ATOM 464 C GLU A 457 -2.168 -16.366 1.317 1.00 0.00 C ATOM 465 O GLU A 457 -3.174 -15.905 0.818 1.00 0.00 O ATOM 466 CB GLU A 457 -2.316 -18.249 2.950 1.00 0.00 C ATOM 467 CG GLU A 457 -2.542 -19.759 3.047 1.00 0.00 C ATOM 468 CD GLU A 457 -2.921 -20.123 4.483 1.00 0.00 C ATOM 469 OE1 GLU A 457 -2.978 -19.225 5.306 1.00 0.00 O ATOM 470 OE2 GLU A 457 -3.147 -21.296 4.736 1.00 0.00 O ATOM 0 H GLU A 457 -0.074 -18.690 1.968 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.651 -18.412 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.502 -17.950 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -3.207 -17.716 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -3.333 -20.065 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -1.639 -20.293 2.751 1.00 0.00 H new ATOM 477 N ASP A 458 -1.187 -15.600 1.706 1.00 0.00 N ATOM 478 CA ASP A 458 -1.285 -14.124 1.546 1.00 0.00 C ATOM 479 C ASP A 458 -1.414 -13.794 0.057 1.00 0.00 C ATOM 480 O ASP A 458 -2.095 -12.865 -0.328 1.00 0.00 O ATOM 481 CB ASP A 458 -0.024 -13.463 2.108 1.00 0.00 C ATOM 482 CG ASP A 458 0.004 -13.629 3.629 1.00 0.00 C ATOM 483 OD1 ASP A 458 -1.007 -14.026 4.182 1.00 0.00 O ATOM 484 OD2 ASP A 458 1.040 -13.356 4.214 1.00 0.00 O ATOM 0 H ASP A 458 -0.321 -15.934 2.128 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.156 -13.751 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.864 -13.914 1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -0.008 -12.405 1.847 1.00 0.00 H new ATOM 489 N LEU A 459 -0.762 -14.554 -0.781 1.00 0.00 N ATOM 490 CA LEU A 459 -0.843 -14.292 -2.245 1.00 0.00 C ATOM 491 C LEU A 459 -2.232 -14.680 -2.753 1.00 0.00 C ATOM 492 O LEU A 459 -2.791 -14.034 -3.616 1.00 0.00 O ATOM 493 CB LEU A 459 0.217 -15.122 -2.971 1.00 0.00 C ATOM 494 CG LEU A 459 0.158 -14.831 -4.472 1.00 0.00 C ATOM 495 CD1 LEU A 459 0.703 -13.428 -4.741 1.00 0.00 C ATOM 496 CD2 LEU A 459 1.003 -15.860 -5.224 1.00 0.00 C ATOM 0 H LEU A 459 -0.177 -15.345 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.668 -13.233 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.208 -14.885 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 459 0.049 -16.184 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 459 -0.875 -14.890 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 459 0.661 -13.220 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 459 0.100 -12.695 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 459 1.736 -13.368 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 459 0.961 -15.653 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 459 2.037 -15.801 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 459 0.614 -16.860 -5.032 1.00 0.00 H new ATOM 508 N ALA A 460 -2.793 -15.730 -2.222 1.00 0.00 N ATOM 509 CA ALA A 460 -4.147 -16.157 -2.671 1.00 0.00 C ATOM 510 C ALA A 460 -5.153 -15.042 -2.369 1.00 0.00 C ATOM 511 O ALA A 460 -6.209 -14.966 -2.966 1.00 0.00 O ATOM 512 CB ALA A 460 -4.552 -17.426 -1.919 1.00 0.00 C ATOM 0 H ALA A 460 -2.373 -16.311 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 460 -4.134 -16.357 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.543 -17.742 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.832 -18.218 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.570 -17.224 -0.848 1.00 0.00 H new ATOM 518 N GLU A 461 -4.832 -14.182 -1.441 1.00 0.00 N ATOM 519 CA GLU A 461 -5.767 -13.075 -1.090 1.00 0.00 C ATOM 520 C GLU A 461 -5.447 -11.835 -1.929 1.00 0.00 C ATOM 521 O GLU A 461 -6.200 -10.881 -1.950 1.00 0.00 O ATOM 522 CB GLU A 461 -5.616 -12.736 0.393 1.00 0.00 C ATOM 523 CG GLU A 461 -6.078 -13.925 1.237 1.00 0.00 C ATOM 524 CD GLU A 461 -6.018 -13.553 2.720 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.518 -12.482 3.020 1.00 0.00 O ATOM 526 OE2 GLU A 461 -6.474 -14.344 3.528 1.00 0.00 O ATOM 0 H GLU A 461 -3.961 -14.198 -0.910 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.790 -13.391 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -4.576 -12.498 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -6.205 -11.852 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -7.095 -14.206 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -5.445 -14.791 1.042 1.00 0.00 H new ATOM 533 N GLN A 462 -4.340 -11.836 -2.620 1.00 0.00 N ATOM 534 CA GLN A 462 -3.987 -10.651 -3.451 1.00 0.00 C ATOM 535 C GLN A 462 -4.916 -10.582 -4.663 1.00 0.00 C ATOM 536 O GLN A 462 -6.004 -11.123 -4.655 1.00 0.00 O ATOM 537 CB GLN A 462 -2.537 -10.769 -3.925 1.00 0.00 C ATOM 538 CG GLN A 462 -1.640 -11.107 -2.733 1.00 0.00 C ATOM 539 CD GLN A 462 -1.627 -9.928 -1.756 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.580 -8.785 -2.165 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.667 -10.161 -0.472 1.00 0.00 N ATOM 0 H GLN A 462 -3.668 -12.603 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 462 -4.100 -9.746 -2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.454 -11.543 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -2.215 -9.834 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -2.004 -12.004 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.627 -11.321 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -1.706 -11.121 -0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -1.659 -9.383 0.188 1.00 0.00 H new ATOM 550 N GLY A 463 -4.497 -9.920 -5.705 1.00 0.00 N ATOM 551 CA GLY A 463 -5.353 -9.815 -6.919 1.00 0.00 C ATOM 552 C GLY A 463 -4.507 -9.324 -8.095 1.00 0.00 C ATOM 553 O GLY A 463 -3.564 -8.578 -7.923 1.00 0.00 O ATOM 0 H GLY A 463 -3.596 -9.446 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -5.793 -10.785 -7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.178 -9.126 -6.737 1.00 0.00 H new ATOM 557 N ILE A 464 -4.833 -9.735 -9.288 1.00 0.00 N ATOM 558 CA ILE A 464 -4.046 -9.290 -10.470 1.00 0.00 C ATOM 559 C ILE A 464 -3.801 -7.784 -10.385 1.00 0.00 C ATOM 560 O ILE A 464 -2.731 -7.299 -10.693 1.00 0.00 O ATOM 561 CB ILE A 464 -4.827 -9.609 -11.745 1.00 0.00 C ATOM 562 CG1 ILE A 464 -5.074 -11.117 -11.827 1.00 0.00 C ATOM 563 CG2 ILE A 464 -4.021 -9.158 -12.963 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.941 -11.427 -13.049 1.00 0.00 C ATOM 0 H ILE A 464 -5.611 -10.361 -9.495 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.088 -9.810 -10.487 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.782 -9.084 -11.727 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -4.125 -11.648 -11.897 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.568 -11.465 -10.920 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.578 -9.385 -13.872 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.844 -8.084 -12.905 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -3.066 -9.683 -12.982 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -6.117 -12.501 -13.107 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.895 -10.907 -12.959 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.430 -11.094 -13.952 1.00 0.00 H new ATOM 576 N ASP A 465 -4.787 -7.042 -9.970 1.00 0.00 N ATOM 577 CA ASP A 465 -4.619 -5.564 -9.863 1.00 0.00 C ATOM 578 C ASP A 465 -3.670 -5.239 -8.709 1.00 0.00 C ATOM 579 O ASP A 465 -2.906 -4.296 -8.767 1.00 0.00 O ATOM 580 CB ASP A 465 -5.979 -4.914 -9.602 1.00 0.00 C ATOM 581 CG ASP A 465 -5.843 -3.393 -9.693 1.00 0.00 C ATOM 582 OD1 ASP A 465 -4.779 -2.936 -10.078 1.00 0.00 O ATOM 583 OD2 ASP A 465 -6.803 -2.713 -9.374 1.00 0.00 O ATOM 0 H ASP A 465 -5.705 -7.394 -9.699 1.00 0.00 H new ATOM 0 HA ASP A 465 -4.203 -5.178 -10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.709 -5.269 -10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -6.347 -5.199 -8.616 1.00 0.00 H new ATOM 588 N ASP A 466 -3.709 -6.015 -7.662 1.00 0.00 N ATOM 589 CA ASP A 466 -2.807 -5.750 -6.507 1.00 0.00 C ATOM 590 C ASP A 466 -1.377 -6.141 -6.880 1.00 0.00 C ATOM 591 O ASP A 466 -0.432 -5.437 -6.582 1.00 0.00 O ATOM 592 CB ASP A 466 -3.266 -6.572 -5.301 1.00 0.00 C ATOM 593 CG ASP A 466 -4.610 -6.036 -4.804 1.00 0.00 C ATOM 594 OD1 ASP A 466 -4.994 -4.963 -5.238 1.00 0.00 O ATOM 595 OD2 ASP A 466 -5.232 -6.709 -3.998 1.00 0.00 O ATOM 0 H ASP A 466 -4.326 -6.820 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 466 -2.839 -4.690 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -3.360 -7.622 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.523 -6.517 -4.505 1.00 0.00 H new ATOM 600 N LEU A 467 -1.210 -7.256 -7.538 1.00 0.00 N ATOM 601 CA LEU A 467 0.158 -7.689 -7.936 1.00 0.00 C ATOM 602 C LEU A 467 0.612 -6.875 -9.149 1.00 0.00 C ATOM 603 O LEU A 467 1.789 -6.736 -9.412 1.00 0.00 O ATOM 604 CB LEU A 467 0.142 -9.175 -8.300 1.00 0.00 C ATOM 605 CG LEU A 467 -0.389 -9.986 -7.117 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.109 -11.472 -7.355 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.308 -9.535 -5.831 1.00 0.00 C ATOM 0 H LEU A 467 -1.963 -7.885 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 467 0.846 -7.528 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.485 -9.338 -9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.147 -9.507 -8.560 1.00 0.00 H new ATOM 0 HG LEU A 467 -1.463 -9.827 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.486 -12.053 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.606 -11.794 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 467 0.965 -11.629 -7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.072 -10.114 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 467 1.382 -9.693 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 467 0.110 -8.476 -5.662 1.00 0.00 H new ATOM 619 N ALA A 468 -0.319 -6.335 -9.890 1.00 0.00 N ATOM 620 CA ALA A 468 0.054 -5.529 -11.085 1.00 0.00 C ATOM 621 C ALA A 468 1.153 -4.535 -10.708 1.00 0.00 C ATOM 622 O ALA A 468 2.005 -4.202 -11.507 1.00 0.00 O ATOM 623 CB ALA A 468 -1.174 -4.766 -11.589 1.00 0.00 C ATOM 0 H ALA A 468 -1.321 -6.418 -9.718 1.00 0.00 H new ATOM 0 HA ALA A 468 0.418 -6.191 -11.870 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.902 -4.176 -12.464 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -1.957 -5.475 -11.859 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.539 -4.104 -10.804 1.00 0.00 H new ATOM 629 N ASP A 469 1.142 -4.062 -9.493 1.00 0.00 N ATOM 630 CA ASP A 469 2.186 -3.092 -9.062 1.00 0.00 C ATOM 631 C ASP A 469 3.562 -3.751 -9.166 1.00 0.00 C ATOM 632 O ASP A 469 4.561 -3.094 -9.383 1.00 0.00 O ATOM 633 CB ASP A 469 1.928 -2.676 -7.612 1.00 0.00 C ATOM 634 CG ASP A 469 0.621 -1.884 -7.533 1.00 0.00 C ATOM 635 OD1 ASP A 469 0.131 -1.483 -8.575 1.00 0.00 O ATOM 636 OD2 ASP A 469 0.133 -1.694 -6.432 1.00 0.00 O ATOM 0 H ASP A 469 0.455 -4.306 -8.780 1.00 0.00 H new ATOM 0 HA ASP A 469 2.153 -2.211 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 469 1.870 -3.558 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 469 2.756 -2.070 -7.244 1.00 0.00 H new ATOM 641 N ILE A 470 3.622 -5.045 -9.011 1.00 0.00 N ATOM 642 CA ILE A 470 4.934 -5.746 -9.101 1.00 0.00 C ATOM 643 C ILE A 470 5.513 -5.565 -10.504 1.00 0.00 C ATOM 644 O ILE A 470 4.802 -5.293 -11.452 1.00 0.00 O ATOM 645 CB ILE A 470 4.735 -7.238 -8.820 1.00 0.00 C ATOM 646 CG1 ILE A 470 3.954 -7.411 -7.518 1.00 0.00 C ATOM 647 CG2 ILE A 470 6.097 -7.923 -8.691 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.678 -6.679 -6.387 1.00 0.00 C ATOM 0 H ILE A 470 2.820 -5.647 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 470 5.622 -5.326 -8.367 1.00 0.00 H new ATOM 0 HB ILE A 470 4.179 -7.689 -9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 470 2.944 -7.017 -7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 470 3.858 -8.470 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 470 5.953 -8.985 -8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.655 -7.801 -9.619 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.655 -7.472 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 470 4.121 -6.802 -5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.679 -7.094 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 470 4.751 -5.618 -6.628 1.00 0.00 H new ATOM 660 N GLU A 471 6.799 -5.718 -10.645 1.00 0.00 N ATOM 661 CA GLU A 471 7.427 -5.558 -11.985 1.00 0.00 C ATOM 662 C GLU A 471 7.648 -6.937 -12.609 1.00 0.00 C ATOM 663 O GLU A 471 8.049 -7.872 -11.944 1.00 0.00 O ATOM 664 CB GLU A 471 8.772 -4.842 -11.838 1.00 0.00 C ATOM 665 CG GLU A 471 9.333 -4.522 -13.224 1.00 0.00 C ATOM 666 CD GLU A 471 10.707 -3.866 -13.079 1.00 0.00 C ATOM 667 OE1 GLU A 471 11.147 -3.703 -11.953 1.00 0.00 O ATOM 668 OE2 GLU A 471 11.297 -3.540 -14.096 1.00 0.00 O ATOM 0 H GLU A 471 7.444 -5.947 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 471 6.772 -4.968 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 471 8.647 -3.924 -11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.472 -5.470 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.414 -5.434 -13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 471 8.655 -3.856 -13.758 1.00 0.00 H new ATOM 675 N GLY A 472 7.390 -7.075 -13.881 1.00 0.00 N ATOM 676 CA GLY A 472 7.585 -8.396 -14.543 1.00 0.00 C ATOM 677 C GLY A 472 6.315 -9.236 -14.393 1.00 0.00 C ATOM 678 O GLY A 472 6.300 -10.413 -14.693 1.00 0.00 O ATOM 0 H GLY A 472 7.053 -6.330 -14.490 1.00 0.00 H new ATOM 0 HA2 GLY A 472 7.817 -8.255 -15.599 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.432 -8.916 -14.097 1.00 0.00 H new ATOM 682 N LEU A 473 5.249 -8.642 -13.930 1.00 0.00 N ATOM 683 CA LEU A 473 3.982 -9.408 -13.760 1.00 0.00 C ATOM 684 C LEU A 473 2.936 -8.890 -14.752 1.00 0.00 C ATOM 685 O LEU A 473 2.619 -7.717 -14.776 1.00 0.00 O ATOM 686 CB LEU A 473 3.466 -9.229 -12.330 1.00 0.00 C ATOM 687 CG LEU A 473 2.251 -10.132 -12.104 1.00 0.00 C ATOM 688 CD1 LEU A 473 2.544 -11.531 -12.652 1.00 0.00 C ATOM 689 CD2 LEU A 473 1.956 -10.225 -10.605 1.00 0.00 C ATOM 0 H LEU A 473 5.201 -7.659 -13.662 1.00 0.00 H new ATOM 0 HA LEU A 473 4.167 -10.466 -13.948 1.00 0.00 H new ATOM 0 HB2 LEU A 473 4.252 -9.475 -11.616 1.00 0.00 H new ATOM 0 HB3 LEU A 473 3.194 -8.187 -12.159 1.00 0.00 H new ATOM 0 HG LEU A 473 1.387 -9.713 -12.620 1.00 0.00 H new ATOM 0 HD11 LEU A 473 1.678 -12.174 -12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 473 2.754 -11.467 -13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 473 3.408 -11.950 -12.136 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.091 -10.868 -10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 473 2.820 -10.644 -10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 473 1.747 -9.230 -10.213 1.00 0.00 H new ATOM 701 N THR A 474 2.401 -9.753 -15.574 1.00 0.00 N ATOM 702 CA THR A 474 1.381 -9.303 -16.563 1.00 0.00 C ATOM 703 C THR A 474 -0.007 -9.775 -16.121 1.00 0.00 C ATOM 704 O THR A 474 -0.159 -10.421 -15.103 1.00 0.00 O ATOM 705 CB THR A 474 1.705 -9.895 -17.937 1.00 0.00 C ATOM 706 OG1 THR A 474 2.997 -10.485 -17.904 1.00 0.00 O ATOM 707 CG2 THR A 474 1.674 -8.789 -18.993 1.00 0.00 C ATOM 0 H THR A 474 2.626 -10.747 -15.603 1.00 0.00 H new ATOM 0 HA THR A 474 1.392 -8.215 -16.623 1.00 0.00 H new ATOM 0 HB THR A 474 0.965 -10.654 -18.189 1.00 0.00 H new ATOM 0 HG1 THR A 474 3.205 -10.866 -18.783 1.00 0.00 H new ATOM 0 HG21 THR A 474 1.905 -9.213 -19.970 1.00 0.00 H new ATOM 0 HG22 THR A 474 0.682 -8.338 -19.018 1.00 0.00 H new ATOM 0 HG23 THR A 474 2.413 -8.027 -18.744 1.00 0.00 H new ATOM 715 N ASP A 475 -1.019 -9.458 -16.881 1.00 0.00 N ATOM 716 CA ASP A 475 -2.398 -9.886 -16.508 1.00 0.00 C ATOM 717 C ASP A 475 -2.483 -11.414 -16.529 1.00 0.00 C ATOM 718 O ASP A 475 -3.100 -12.022 -15.678 1.00 0.00 O ATOM 719 CB ASP A 475 -3.399 -9.304 -17.508 1.00 0.00 C ATOM 720 CG ASP A 475 -3.458 -7.783 -17.344 1.00 0.00 C ATOM 721 OD1 ASP A 475 -2.923 -7.292 -16.363 1.00 0.00 O ATOM 722 OD2 ASP A 475 -4.036 -7.138 -18.202 1.00 0.00 O ATOM 0 H ASP A 475 -0.951 -8.921 -17.745 1.00 0.00 H new ATOM 0 HA ASP A 475 -2.633 -9.525 -15.507 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -3.103 -9.560 -18.526 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -4.386 -9.737 -17.345 1.00 0.00 H new ATOM 727 N GLU A 476 -1.866 -12.040 -17.495 1.00 0.00 N ATOM 728 CA GLU A 476 -1.910 -13.528 -17.566 1.00 0.00 C ATOM 729 C GLU A 476 -1.083 -14.113 -16.420 1.00 0.00 C ATOM 730 O GLU A 476 -1.550 -14.943 -15.661 1.00 0.00 O ATOM 731 CB GLU A 476 -1.330 -13.994 -18.904 1.00 0.00 C ATOM 732 CG GLU A 476 -1.490 -15.511 -19.028 1.00 0.00 C ATOM 733 CD GLU A 476 -0.827 -15.991 -20.322 1.00 0.00 C ATOM 734 OE1 GLU A 476 -0.264 -15.163 -21.018 1.00 0.00 O ATOM 735 OE2 GLU A 476 -0.895 -17.178 -20.593 1.00 0.00 O ATOM 0 H GLU A 476 -1.334 -11.585 -18.237 1.00 0.00 H new ATOM 0 HA GLU A 476 -2.943 -13.867 -17.482 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -1.841 -13.495 -19.728 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -0.277 -13.722 -18.971 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -1.037 -16.006 -18.169 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -2.547 -15.777 -19.028 1.00 0.00 H new ATOM 742 N LYS A 477 0.143 -13.685 -16.286 1.00 0.00 N ATOM 743 CA LYS A 477 1.000 -14.211 -15.189 1.00 0.00 C ATOM 744 C LYS A 477 0.365 -13.864 -13.843 1.00 0.00 C ATOM 745 O LYS A 477 0.385 -14.647 -12.914 1.00 0.00 O ATOM 746 CB LYS A 477 2.391 -13.579 -15.278 1.00 0.00 C ATOM 747 CG LYS A 477 3.083 -14.041 -16.561 1.00 0.00 C ATOM 748 CD LYS A 477 4.449 -13.361 -16.672 1.00 0.00 C ATOM 749 CE LYS A 477 5.401 -13.962 -15.637 1.00 0.00 C ATOM 750 NZ LYS A 477 6.204 -15.046 -16.270 1.00 0.00 N ATOM 0 H LYS A 477 0.587 -12.993 -16.890 1.00 0.00 H new ATOM 0 HA LYS A 477 1.090 -15.293 -15.282 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.309 -12.492 -15.268 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.986 -13.862 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 477 3.203 -15.124 -16.553 1.00 0.00 H new ATOM 0 HG3 LYS A 477 2.470 -13.794 -17.428 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.854 -13.495 -17.675 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.348 -12.288 -16.509 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.061 -13.189 -15.242 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.835 -14.359 -14.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.851 -15.455 -15.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 5.567 -15.787 -16.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 6.755 -14.654 -17.060 1.00 0.00 H new ATOM 764 N ALA A 478 -0.206 -12.698 -13.733 1.00 0.00 N ATOM 765 CA ALA A 478 -0.849 -12.303 -12.449 1.00 0.00 C ATOM 766 C ALA A 478 -1.852 -13.384 -12.047 1.00 0.00 C ATOM 767 O ALA A 478 -2.010 -13.699 -10.883 1.00 0.00 O ATOM 768 CB ALA A 478 -1.576 -10.968 -12.627 1.00 0.00 C ATOM 0 H ALA A 478 -0.256 -12.001 -14.476 1.00 0.00 H new ATOM 0 HA ALA A 478 -0.091 -12.194 -11.674 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -2.046 -10.681 -11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.861 -10.201 -12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -2.340 -11.070 -13.398 1.00 0.00 H new ATOM 774 N GLY A 479 -2.526 -13.961 -13.003 1.00 0.00 N ATOM 775 CA GLY A 479 -3.511 -15.029 -12.681 1.00 0.00 C ATOM 776 C GLY A 479 -2.757 -16.308 -12.327 1.00 0.00 C ATOM 777 O GLY A 479 -2.681 -16.699 -11.181 1.00 0.00 O ATOM 0 H GLY A 479 -2.436 -13.738 -13.994 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.142 -14.721 -11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.170 -15.203 -13.532 1.00 0.00 H new ATOM 781 N ALA A 480 -2.205 -16.966 -13.307 1.00 0.00 N ATOM 782 CA ALA A 480 -1.456 -18.227 -13.039 1.00 0.00 C ATOM 783 C ALA A 480 -0.650 -18.085 -11.745 1.00 0.00 C ATOM 784 O ALA A 480 -0.583 -18.994 -10.942 1.00 0.00 O ATOM 785 CB ALA A 480 -0.502 -18.511 -14.201 1.00 0.00 C ATOM 0 H ALA A 480 -2.240 -16.684 -14.287 1.00 0.00 H new ATOM 0 HA ALA A 480 -2.164 -19.050 -12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 480 0.046 -19.433 -14.005 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -1.073 -18.617 -15.123 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.202 -17.685 -14.304 1.00 0.00 H new ATOM 791 N LEU A 481 -0.038 -16.952 -11.534 1.00 0.00 N ATOM 792 CA LEU A 481 0.762 -16.755 -10.291 1.00 0.00 C ATOM 793 C LEU A 481 -0.153 -16.885 -9.072 1.00 0.00 C ATOM 794 O LEU A 481 -0.036 -17.807 -8.288 1.00 0.00 O ATOM 795 CB LEU A 481 1.394 -15.362 -10.306 1.00 0.00 C ATOM 796 CG LEU A 481 2.784 -15.433 -10.944 1.00 0.00 C ATOM 797 CD1 LEU A 481 3.778 -16.020 -9.940 1.00 0.00 C ATOM 798 CD2 LEU A 481 2.732 -16.322 -12.189 1.00 0.00 C ATOM 0 H LEU A 481 -0.057 -16.154 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 481 1.547 -17.510 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 481 0.762 -14.671 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.469 -14.975 -9.290 1.00 0.00 H new ATOM 0 HG LEU A 481 3.103 -14.430 -11.228 1.00 0.00 H new ATOM 0 HD11 LEU A 481 4.767 -16.070 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 481 3.818 -15.386 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 481 3.458 -17.022 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 481 3.722 -16.372 -12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 481 2.411 -17.325 -11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 481 2.025 -15.903 -12.906 1.00 0.00 H new ATOM 810 N ILE A 482 -1.067 -15.966 -8.906 1.00 0.00 N ATOM 811 CA ILE A 482 -1.992 -16.032 -7.739 1.00 0.00 C ATOM 812 C ILE A 482 -2.852 -17.290 -7.844 1.00 0.00 C ATOM 813 O ILE A 482 -3.236 -17.878 -6.853 1.00 0.00 O ATOM 814 CB ILE A 482 -2.897 -14.799 -7.742 1.00 0.00 C ATOM 815 CG1 ILE A 482 -2.046 -13.542 -7.569 1.00 0.00 C ATOM 816 CG2 ILE A 482 -3.901 -14.899 -6.592 1.00 0.00 C ATOM 817 CD1 ILE A 482 -2.938 -12.304 -7.677 1.00 0.00 C ATOM 0 H ILE A 482 -1.212 -15.172 -9.529 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.414 -16.061 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.435 -14.746 -8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.545 -13.559 -6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -1.267 -13.510 -8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.546 -14.020 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.509 -15.795 -6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -3.365 -14.953 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -2.332 -11.407 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.418 -12.286 -8.655 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.701 -12.336 -6.899 1.00 0.00 H new ATOM 829 N MET A 483 -3.157 -17.704 -9.039 1.00 0.00 N ATOM 830 CA MET A 483 -3.993 -18.921 -9.216 1.00 0.00 C ATOM 831 C MET A 483 -3.228 -20.142 -8.706 1.00 0.00 C ATOM 832 O MET A 483 -3.800 -21.058 -8.152 1.00 0.00 O ATOM 833 CB MET A 483 -4.318 -19.103 -10.701 1.00 0.00 C ATOM 834 CG MET A 483 -5.270 -17.995 -11.154 1.00 0.00 C ATOM 835 SD MET A 483 -5.694 -18.238 -12.896 1.00 0.00 S ATOM 836 CE MET A 483 -6.952 -19.513 -12.647 1.00 0.00 C ATOM 0 H MET A 483 -2.863 -17.251 -9.904 1.00 0.00 H new ATOM 0 HA MET A 483 -4.920 -18.813 -8.652 1.00 0.00 H new ATOM 0 HB2 MET A 483 -3.402 -19.074 -11.291 1.00 0.00 H new ATOM 0 HB3 MET A 483 -4.773 -20.079 -10.868 1.00 0.00 H new ATOM 0 HG2 MET A 483 -6.173 -18.005 -10.544 1.00 0.00 H new ATOM 0 HG3 MET A 483 -4.803 -17.020 -11.015 1.00 0.00 H new ATOM 0 HE1 MET A 483 -6.730 -20.372 -13.280 1.00 0.00 H new ATOM 0 HE2 MET A 483 -6.954 -19.823 -11.602 1.00 0.00 H new ATOM 0 HE3 MET A 483 -7.932 -19.113 -12.908 1.00 0.00 H new ATOM 846 N ALA A 484 -1.936 -20.158 -8.882 1.00 0.00 N ATOM 847 CA ALA A 484 -1.134 -21.317 -8.402 1.00 0.00 C ATOM 848 C ALA A 484 -1.163 -21.351 -6.874 1.00 0.00 C ATOM 849 O ALA A 484 -1.214 -22.401 -6.266 1.00 0.00 O ATOM 850 CB ALA A 484 0.310 -21.173 -8.885 1.00 0.00 C ATOM 0 H ALA A 484 -1.401 -19.418 -9.337 1.00 0.00 H new ATOM 0 HA ALA A 484 -1.555 -22.242 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.897 -22.021 -8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 484 0.328 -21.145 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.735 -20.250 -8.491 1.00 0.00 H new ATOM 856 N ALA A 485 -1.140 -20.206 -6.250 1.00 0.00 N ATOM 857 CA ALA A 485 -1.176 -20.169 -4.762 1.00 0.00 C ATOM 858 C ALA A 485 -2.596 -20.472 -4.291 1.00 0.00 C ATOM 859 O ALA A 485 -2.811 -21.257 -3.388 1.00 0.00 O ATOM 860 CB ALA A 485 -0.760 -18.781 -4.272 1.00 0.00 C ATOM 0 H ALA A 485 -1.098 -19.295 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.487 -20.912 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.787 -18.756 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.251 -18.562 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.447 -18.034 -4.669 1.00 0.00 H new ATOM 866 N ARG A 486 -3.568 -19.861 -4.906 1.00 0.00 N ATOM 867 CA ARG A 486 -4.980 -20.115 -4.509 1.00 0.00 C ATOM 868 C ARG A 486 -5.326 -21.577 -4.793 1.00 0.00 C ATOM 869 O ARG A 486 -5.932 -22.252 -3.986 1.00 0.00 O ATOM 870 CB ARG A 486 -5.906 -19.208 -5.321 1.00 0.00 C ATOM 871 CG ARG A 486 -5.661 -17.749 -4.928 1.00 0.00 C ATOM 872 CD ARG A 486 -6.657 -16.847 -5.660 1.00 0.00 C ATOM 873 NE ARG A 486 -6.266 -15.422 -5.466 1.00 0.00 N ATOM 874 CZ ARG A 486 -6.929 -14.473 -6.070 1.00 0.00 C ATOM 875 NH1 ARG A 486 -7.626 -14.742 -7.141 1.00 0.00 N ATOM 876 NH2 ARG A 486 -6.896 -13.255 -5.604 1.00 0.00 N ATOM 0 H ARG A 486 -3.445 -19.195 -5.669 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.106 -19.907 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.724 -19.345 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -6.947 -19.475 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -5.770 -17.629 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.640 -17.460 -5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -6.673 -17.090 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.665 -17.015 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 486 -5.479 -15.188 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -7.653 -15.694 -7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -8.144 -14.000 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -6.352 -13.044 -4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -7.414 -12.514 -6.076 1.00 0.00 H new ATOM 890 N ASN A 487 -4.939 -22.071 -5.936 1.00 0.00 N ATOM 891 CA ASN A 487 -5.239 -23.490 -6.280 1.00 0.00 C ATOM 892 C ASN A 487 -4.601 -24.414 -5.242 1.00 0.00 C ATOM 893 O ASN A 487 -5.162 -25.423 -4.863 1.00 0.00 O ATOM 894 CB ASN A 487 -4.662 -23.815 -7.660 1.00 0.00 C ATOM 895 CG ASN A 487 -5.379 -22.986 -8.728 1.00 0.00 C ATOM 896 OD1 ASN A 487 -6.558 -22.716 -8.613 1.00 0.00 O ATOM 897 ND2 ASN A 487 -4.712 -22.568 -9.770 1.00 0.00 N ATOM 0 H ASN A 487 -4.426 -21.552 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.319 -23.637 -6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -3.593 -23.602 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -4.778 -24.878 -7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.181 -22.015 -10.487 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -3.722 -22.795 -9.866 1.00 0.00 H new ATOM 904 N ILE A 488 -3.423 -24.084 -4.794 1.00 0.00 N ATOM 905 CA ILE A 488 -2.735 -24.949 -3.795 1.00 0.00 C ATOM 906 C ILE A 488 -3.269 -24.667 -2.390 1.00 0.00 C ATOM 907 O ILE A 488 -3.411 -25.564 -1.582 1.00 0.00 O ATOM 908 CB ILE A 488 -1.232 -24.671 -3.839 1.00 0.00 C ATOM 909 CG1 ILE A 488 -0.693 -25.031 -5.226 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.527 -25.518 -2.777 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.777 -24.619 -5.327 1.00 0.00 C ATOM 0 H ILE A 488 -2.906 -23.252 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 488 -2.925 -25.995 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.047 -23.615 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -0.794 -26.102 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.276 -24.527 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.545 -25.321 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -0.915 -25.263 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -0.707 -26.574 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 488 1.160 -24.876 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.865 -23.544 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 488 1.355 -25.144 -4.566 1.00 0.00 H new ATOM 923 N CYS A 489 -3.560 -23.435 -2.086 1.00 0.00 N ATOM 924 CA CYS A 489 -4.075 -23.108 -0.725 1.00 0.00 C ATOM 925 C CYS A 489 -5.588 -23.330 -0.677 1.00 0.00 C ATOM 926 O CYS A 489 -6.149 -23.621 0.361 1.00 0.00 O ATOM 927 CB CYS A 489 -3.767 -21.645 -0.399 1.00 0.00 C ATOM 928 SG CYS A 489 -2.266 -21.555 0.606 1.00 0.00 S ATOM 0 H CYS A 489 -3.465 -22.640 -2.718 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.591 -23.756 0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -3.636 -21.076 -1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.604 -21.197 0.137 1.00 0.00 H new ATOM 0 HG CYS A 489 -2.444 -22.215 1.712 1.00 0.00 H new ATOM 934 N TRP A 490 -6.256 -23.190 -1.789 1.00 0.00 N ATOM 935 CA TRP A 490 -7.733 -23.387 -1.803 1.00 0.00 C ATOM 936 C TRP A 490 -8.066 -24.752 -2.406 1.00 0.00 C ATOM 937 O TRP A 490 -8.230 -25.730 -1.704 1.00 0.00 O ATOM 938 CB TRP A 490 -8.387 -22.290 -2.644 1.00 0.00 C ATOM 939 CG TRP A 490 -8.119 -20.954 -2.029 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.466 -20.749 -0.863 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.484 -19.635 -2.530 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.407 -19.389 -0.616 1.00 0.00 N ATOM 943 CE2 TRP A 490 -8.021 -18.661 -1.615 1.00 0.00 C ATOM 944 CE3 TRP A 490 -9.165 -19.196 -3.679 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.227 -17.297 -1.832 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -9.375 -17.825 -3.901 1.00 0.00 C ATOM 947 CH2 TRP A 490 -8.907 -16.878 -2.980 1.00 0.00 C ATOM 0 H TRP A 490 -5.842 -22.947 -2.689 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.111 -23.340 -0.782 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -7.997 -22.317 -3.661 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.461 -22.461 -2.710 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.057 -21.521 -0.228 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -6.964 -18.975 0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.529 -19.917 -4.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -7.864 -16.571 -1.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -9.900 -17.499 -4.787 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -9.071 -15.825 -3.157 1.00 0.00 H new